{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.4718 1.858527 2.216013 ] [ 2.961187 3.9638 1.175243 ] [ 2.62986 4.035161 3.548452 ] [ 4.200659 2.412747 0.4103634 ] [ 4.64949 3.303863 2.581344 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4718e-10 1.858527e-10 2.216013e-10 ] [ 2.961187e-10 3.9638e-10 1.175243e-10 ] [ 2.62986e-10 4.035161000000001e-10 3.548452e-10 ] [ 4.200659e-10 2.412747e-10 4.103634e-11 ] [ 4.64949e-10 3.303863e-10 2.581344e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.2186216 -7.9481671 1.6953407 ] [ -7.4242756 10.9790461 -5.866673 ] [ -2.1712456 1.4530756 3.9415372 ] [ 4.637381 -5.6372195 -5.1050286 ] [ 11.1767618 1.153265 5.3348237 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.96333014112189e-09 -1.273436750583174e-08 2.716235233830707e-09 ] [ -1.189500079269589e-08 1.759037098010542e-08 -9.399446322478597e-09 ] [ -3.478718938334869e-09 2.328083754574933e-09 6.315038751853494e-09 ] [ 7.429903419942125e-09 -9.031821289217865e-09 -8.179157471435355e-09 ] [ 1.790714645221053e-08 1.847734220586912e-09 8.547329808229754e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 1.407378 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.254868128228263e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.0136697 2.2572501 2.8550025 ] [ 3.3325948 3.7755603 0.0322102 ] [ 2.803467 3.2387753 4.6693073 ] [ 4.2939244 2.5169522 -0.9541215 ] [ 4.4693401 3.7855602 3.3290169 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0136697e-10 2.2572501e-10 2.8550025e-10 ] [ 3.3325948e-10 3.7755603e-10 3.22102e-12 ] [ 2.803467e-10 3.2387753e-10 4.6693073e-10 ] [ 4.2939244e-10 2.5169522e-10 -9.541215e-11 ] [ 4.469340100000001e-10 3.7855602e-10 3.3290169e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.1808764 0.109222 0.0235588 ] [ -0.0112047 0.0146696 0.0114961 ] [ -0.0190623 -0.0013213 0.032076 ] [ 0.0112047 -0.0146696 -0.0114961 ] [ -0.161814 -0.1079007 -0.0556348 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.897959393344691e-10 1.749929348770176e-10 3.774535857410304e-11 ] [ -1.795190838307776e-11 2.350329015648768e-11 1.841878265037888e-11 ] [ -3.054117139867584e-11 -2.11695596906304e-12 5.13914172887808e-11 ] [ 1.795190838307776e-11 -2.350329015648768e-11 -1.841878265037888e-11 ] [ -2.592546077181312e-10 -1.728759789079546e-10 -8.913677586288384e-11 ] ] } "relaxed-potential-energy" { "source-value" -19.13379 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.065571100529684e-18 } }